Structure 1543413

1543412 << 1543413 >> 1543414
Original COD entry Download CIF Download DOT

Citation: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki (2016). Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks. IUCrJ, 3, pp. -.

Formula: C45 H32 Cu1.88 I1.88 N4 S3

Chemical name: ?

Cell parameters:

  • a = 26.7176(5) Å
  • b = 26.7176(5) Å
  • c = 7.1942(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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Molecules

CIF datablock 0, entity 1 of 9

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C244 H176 Cu8 I8 N24 (C61 H44 Cu2 I2 N6)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S9 (S)

Multiplicity: 1

Coordination sequences:

  • 3, 5, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 3, 4, 4, 4, 3, 3, 4, 4
  • 4, 4, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 4, 4, 2, 4, 4, 4, 4, 2
  • 5, 3, 3, 4, 4, 4, 3, 3, 4, 4
span 1 {1 1 1}

CIF datablock 2, entity 3 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S9 (S)

Multiplicity: 1

Coordination sequences:

  • 3, 5, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 3, 4, 4, 4, 3, 3, 4, 4
  • 4, 4, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 4, 4, 2, 4, 4, 4, 4, 2
  • 5, 3, 3, 4, 4, 4, 3, 3, 4, 4
span 1 {1 1 1}

CIF datablock 3, entity 4 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S9 (S)

Multiplicity: 1

Coordination sequences:

  • 3, 5, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 3, 4, 4, 4, 3, 3, 4, 4
  • 4, 4, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 4, 4, 2, 4, 4, 4, 4, 2
  • 5, 3, 3, 4, 4, 4, 3, 3, 4, 4
span 1 {1 1 1}

CIF datablock 4, entity 5 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S9 (S)

Multiplicity: 1

Coordination sequences:

  • 3, 5, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 3, 4, 4, 4, 3, 3, 4, 4
  • 4, 4, 4, 3, 4, 3, 4, 4, 3, 4
  • 4, 4, 4, 4, 2, 4, 4, 4, 4, 2
  • 5, 3, 3, 4, 4, 4, 3, 3, 4, 4
span 1 {1 1 1}

CIF datablock 5, entity 6 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S8 (S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S8 (S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S8 (S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 8, entity 9 of 9

Basis: (0;0;1)

Dimensionality: 1

Formula: S8 (S)

Multiplicity: 1

span 1 {1 1 1}